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1(3aH)-Pentalenone, 4,6a-dihydro-4-(1-naphthalenyl)-2,3-diphenyl-, (3a.alpha.,4.beta.,6a.alpha.)-
SpectraBase Compound ID 61U1BHRiOnF
InChI InChI=1S/C30H22O/c31-30-26-19-18-25(24-17-9-15-20-10-7-8-16-23(20)24)29(26)27(21-11-3-1-4-12-21)28(30)22-13-5-2-6-14-22/h1-19,25-26,29H/t25-,26-,29+/m1/s1
InChIKey XUCHFBOJVGQUOY-GEBXHLAXSA-N
Mol Weight 398.51 g/mol
Molecular Formula C30H22O
Exact Mass 398.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWcbCFqDIkw
Name 1(3aH)-Pentalenone, 4,6a-dihydro-4-(1-naphthalenyl)-2,3-diphenyl-, (3a.alpha.,4.beta.,6a.alpha.)-
Alternate Name(s) (3aS,4S,6aR)-4-(1-naphthyl)-2,3-diphenyl-4,6a-dihydro-1(3aH)-pentalenone c-4,c-6a-dihydro-4-(1-naphthyl)-2,3-diphenylpentalen-1-(r-3ah)-one
CAS Registry Number 131270-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O
InChI InChI=1S/C30H22O/c31-30-26-19-18-25(24-17-9-15-20-10-7-8-16-23(20)24)29(26)27(21-11-3-1-4-12-21)28(30)22-13-5-2-6-14-22/h1-19,25-26,29H/t25-,26-,29+/m1/s1
InChIKey XUCHFBOJVGQUOY-GEBXHLAXSA-N
Molecular Weight 398.505 g/mol
SMILES C1(=C([C@]2([C@@](c3c4c(cccc4)ccc3)(C=C[C@]2(C1=O)[H])[H])[H])c1ccccc1)c1ccccc1
SPLASH splash10-014j-0958000000-90a81a7d7ec8da61789e
Source of Spectrum KC-1990-2804-9
Wiley ID 1368845